N-[(3S)-5,5-difluoropiperidin-3-yl]-8-(trifluoromethyl)quinolin-5-amine

C15H14F5N3 — CID 129250793

IUPACN-[(3S)-5,5-difluoropiperidin-3-yl]-8-(trifluoromethyl)quinolin-5-amine
SMILESFC1(F)CNC[C@@H](Nc2ccc(C(F)(F)F)c3ncccc23)C1
InChIInChI=1S/C15H14F5N3/c16-14(17)6-9(7-21-8-14)23-12-4-3-11(15(18,19)20)13-10(12)2-1-5-22-13/h1-5,9,21,23H,6-8H2/t9-/m0/s1
InChIKeyXKBDGONMPRTTSB-VIFPVBQESA-N
MW331.29 g/mol
LogP3.66
Rot. Bonds2

About N-[(3S)-5,5-difluoropiperidin-3-yl]-8-(trifluoromethyl)quinolin-5-amine

N-[(3S)-5,5-difluoropiperidin-3-yl]-8-(trifluoromethyl)quinolin-5-amine (PubChem CID 129250793) has the molecular formula C15H14F5N3 and a molecular weight of 331.29 g/mol. Its IUPAC name is N-[(3S)-5,5-difluoropiperidin-3-yl]-8-(trifluoromethyl)quinolin-5-amine.

Molecular Properties

Compound NameN-[(3S)-5,5-difluoropiperidin-3-yl]-8-(trifluoromethyl)quinolin-5-amine
PubChem CID129250793
Molecular FormulaC15H14F5N3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC NameN-[(3S)-5,5-difluoropiperidin-3-yl]-8-(trifluoromethyl)quinolin-5-amine
SMILESFC1(F)CNC[C@@H](Nc2ccc(C(F)(F)F)c3ncccc23)C1
InChIInChI=1S/C15H14F5N3/c16-14(17)6-9(7-21-8-14)23-12-4-3-11(15(18,19)20)13-10(12)2-1-5-22-13/h1-5,9,21,23H,6-8H2/t9-/m0/s1
InChIKeyXKBDGONMPRTTSB-VIFPVBQESA-N
XLogP3.66
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-5,5-difluoropiperidin-3-yl]-8-(trifluoromethyl)quinolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3R)-3-[[8-(trifluoromethyl)quinolin-5-yl]amino]pyrrolidine-1-carboxylate
CID 156685099
8-fluoro-N-(5-methylpiperidin-3-yl)quinolin-5-amine;hydrochloride
CID 129251175
3-[(5,5-difluoropiperidin-3-yl)methoxy]-2-(trifluoromethyl)pyridine;hydrochloride
CID 166105001
N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine
CID 63319382
tert-butyl N-[1-[2-[[(3R,5S)-5-methyl-3-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]-2-oxoethyl]azetidin-3-yl]carbamate
CID 129251082
2-(1-methylpiperidin-3-yl)-N-[(3R,5S)-5-methyl-3-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129251185
N-(4,4-dimethylcycloheptyl)-8-methylquinolin-5-amine
CID 65083328
8-chloro-N-(4-propan-2-ylcyclohexyl)quinolin-5-amine
CID 63445839
8-methyl-N-(1-methylazepan-4-yl)quinolin-5-amine
CID 65070427
N-(3-ethoxycyclobutyl)-8-methylquinolin-5-amine
CID 112573902
N-(azepan-4-yl)-8-chloroquinolin-5-amine
CID 103981370
(3aR,6aS)-5-[3-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042570

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5,5-difluoropiperidin-3-yl]-8-(trifluoromethyl)quinolin-5-amine?
The IUPAC name of N-[(3S)-5,5-difluoropiperidin-3-yl]-8-(trifluoromethyl)quinolin-5-amine (CID 129250793) is N-[(3S)-5,5-difluoropiperidin-3-yl]-8-(trifluoromethyl)quinolin-5-amine.
What is the SMILES notation for N-[(3S)-5,5-difluoropiperidin-3-yl]-8-(trifluoromethyl)quinolin-5-amine?
The canonical SMILES for N-[(3S)-5,5-difluoropiperidin-3-yl]-8-(trifluoromethyl)quinolin-5-amine is FC1(F)CNC[C@@H](Nc2ccc(C(F)(F)F)c3ncccc23)C1.
What is the InChIKey of N-[(3S)-5,5-difluoropiperidin-3-yl]-8-(trifluoromethyl)quinolin-5-amine?
The InChIKey is XKBDGONMPRTTSB-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14F5N3/c16-14(17)6-9(7-21-8-14)23-12-4-3-11(15(18,19)20)13-10(12)2-1-5-22-13/h1-5,9,21,23H,6-8H2/t9-/m0/s1.
What are the key properties of N-[(3S)-5,5-difluoropiperidin-3-yl]-8-(trifluoromethyl)quinolin-5-amine?
N-[(3S)-5,5-difluoropiperidin-3-yl]-8-(trifluoromethyl)quinolin-5-amine has a molecular weight of 331.29 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5,5-difluoropiperidin-3-yl]-8-(trifluoromethyl)quinolin-5-amine is sourced from PubChem (CID 129250793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).